PROTAC ERα Degrader-4

Catalog No. :
ACFXIF930
CAS No. :
2521299-80-7
Molecular Formula :
C55H62F3N5O10S2
Molecular Weight :
1074.25

IUPAC Name:(2S,4R)-1-((2S)-2-(6-(4-((5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene)-2-sulfonamido)phenoxy)hexanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

PROTAC ERα Degrader-4 structure diagram
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Product Information

Product NamePROTAC ERα Degrader-4
IUPAC Name(2S,4R)-1-((2S)-2-(6-(4-((5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene)-2-sulfonamido)phenoxy)hexanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
Molecular FormulaC55H62F3N5O10S2
Molecular Weight1074.25
SMILESCC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4CC5OC4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1
InChI KeyBVQHGFDIIGLBQA-XQHVLUPWSA-N
SynonymPROTAC ERα Degrader-4
CAS No.2521299-80-7

Synthetic Route by SureRoute

1. ACFXIF930 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACHFZT537 route compound structure diagram
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  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACFXIF930 route product structure diagram
    ACFXIF9302521299-80-7
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2. ACFXIF930 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACDMCW927 route compound structure diagram
    ACDMCW9272418596-95-7 In Stock
  4. Then
  5. ACFXIF930 route product structure diagram
    ACFXIF9302521299-80-7
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